1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide

C27H32N4O8 — CID 175373994

IUPAC1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide
SMILESCOc1cccc2c1cc(C(N)=O)n2C(CC(C)C)C(=O)NC(C[C@@H]1CCN(C(C)=O)C1=O)c1coc(=O)o1
InChIInChI=1S/C27H32N4O8/c1-14(2)10-21(31-19-6-5-7-22(37-4)17(19)12-20(31)24(28)33)25(34)29-18(23-13-38-27(36)39-23)11-16-8-9-30(15(3)32)26(16)35/h5-7,12-14,16,18,21H,8-11H2,1-4H3,(H2,28,33)(H,29,34)/t16-,18?,21?/m0/s1
InChIKeySJIYEWCFMCVWJF-AFJQURTJSA-N
MW540.57 g/mol
LogP2.52
Rot. Bonds10

About 1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide

1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide (PubChem CID 175373994) has the molecular formula C27H32N4O8 and a molecular weight of 540.57 g/mol. Its IUPAC name is 1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide.

Molecular Properties

Compound Name1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide
PubChem CID175373994
Molecular FormulaC27H32N4O8
Molecular Weight540.57 g/mol
Exact Mass540.22
IUPAC Name1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide
SMILESCOc1cccc2c1cc(C(N)=O)n2C(CC(C)C)C(=O)NC(C[C@@H]1CCN(C(C)=O)C1=O)c1coc(=O)o1
InChIInChI=1S/C27H32N4O8/c1-14(2)10-21(31-19-6-5-7-22(37-4)17(19)12-20(31)24(28)33)25(34)29-18(23-13-38-27(36)39-23)11-16-8-9-30(15(3)32)26(16)35/h5-7,12-14,16,18,21H,8-11H2,1-4H3,(H2,28,33)(H,29,34)/t16-,18?,21?/m0/s1
InChIKeySJIYEWCFMCVWJF-AFJQURTJSA-N
XLogP2.52
TPSA167.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.57
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide with MolForge

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Related Compounds

(3S)-3-[(2S)-2-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-(2-oxo-1,3-dioxol-4-yl)ethyl]-2-oxopyrrolidine-1-carboxylic acid
CID 175250635
1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide
CID 172745687
1-[(2S)-1-[[1-amino-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide
CID 175871154
[(3S)-4-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-3-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-oxobutyl] piperidine-1-carboxylate
CID 156882292
4-methoxy-1-(3-methylbutyl)indole-2-carboxamide
CID 175749965
1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]indole-2-carboxamide
CID 167331699
(3S)-3-[(2S)-2-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-3-oxo-4-(propanoyloxymethoxy)butyl]-2-oxopyrrolidine-1-carboxylic acid
CID 175250677
[(3S)-3-[(2S)-4-hydroxy-2-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-3-oxobutyl]-2-oxopyrrolidin-1-yl]methyl hydrogen carbonate
CID 175374016
1-[(2S)-1-[[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(2-morpholin-4-ylethoxy)indole-2-carboxamide
CID 175871188
benzyl (3S)-3-[[[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-phenylmethoxycarbonylamino]methyl]-2-oxopyrrolidine-1-carboxylate
CID 165384464
N-[1-[7-[(2,3-dimethoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl]acetamide
CID 45212380
4-methoxy-1-methyl-N-[(1-propylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 46964195

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide?
The IUPAC name of 1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide (CID 175373994) is 1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide.
What is the SMILES notation for 1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide?
The canonical SMILES for 1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide is COc1cccc2c1cc(C(N)=O)n2C(CC(C)C)C(=O)NC(C[C@@H]1CCN(C(C)=O)C1=O)c1coc(=O)o1.
What is the InChIKey of 1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide?
The InChIKey is SJIYEWCFMCVWJF-AFJQURTJSA-N. The full InChI is InChI=1S/C27H32N4O8/c1-14(2)10-21(31-19-6-5-7-22(37-4)17(19)12-20(31)24(28)33)25(34)29-18(23-13-38-27(36)39-23)11-16-8-9-30(15(3)32)26(16)35/h5-7,12-14,16,18,21H,8-11H2,1-4H3,(H2,28,33)(H,29,34)/t16-,18?,21?/m0/s1.
What are the key properties of 1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide?
1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide has a molecular weight of 540.57 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide is sourced from PubChem (CID 175373994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).